4-bromanyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-fluoranyl-benzamide

Systemtic Name: 4-bromanyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-fluoranyl-benzamide Openeye Name: 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-fluoro-benzamide CAS Name: 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-fluorobenzamide IUPAC Name: 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-fluorobenzamide Traditional Name: 4-bromo-2-fluoro-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C17H16BrFN3O3S+ MolecularWeight: 441.294643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H15BrFN3O3S/c18-11-6-7-14(15(19)9-11)17(23)21-12-3-1-4-13(10-12)26(24,25)22-16-5-2-8-20-16/h1,3-4,6-7,9-10H,2,5,8H2,(H,20,22)(H,21,23)/p+1